SCHEMBL14959518

SCHEMBL14959518

CC(=O)c1nc(C(F)(F)F)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
NCEH1 Q6PIU2 1/20 0.47
DAGLA Q9Y4D2 1/20 0.47
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRM1 Q13255 1/20 0.37
CNR2 P34972 1/20 0.32
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
SLC6A9 P48067 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL34467314 0.82 DAGLA (0.51) CES1NCEH1DAGLACYP1A2CYP2C9
SCHEMBL11937844 0.81 DAGLA (0.45) CES1NCEH1DAGLACYP1A2CYP2C9
SCHEMBL5783345 0.81 CES1 (0.47) CES1NCEH1DAGLACYP1A2CYP2C9
SCHEMBL8614226 0.75
SCHEMBL9911978 0.69 PTGS2 (0.40) CES1NCEH1DAGLACYP1A2CYP2C9
SCHEMBL3250812 0.68 CES1 (0.33) CES1NCEH1DAGLACYP1A2CYP2C9
SCHEMBL1807276 0.68 CES1 (0.45) CES1DAGLALMNATSHRSMN1; SMN2
SCHEMBL18711785 0.67 ITGB2 (0.47) CYP1A2CYP2C9CNR2TSHRSMN1; SMN2
SCHEMBL25144893 0.67 FPR3 (0.34) DAGLA
SCHEMBL9891803 0.66 CYP1A2 (0.49) CYP1A2CYP2C9GRM1LTA4HEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A CES1 113/4885NCEH1 382/4885DAGLA 2457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.